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                  Page - 1 of 1                  Record - 1 of 19   [TOP]
Compound ID3364
Compound Structure
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Plant SourceAmyris elemifera     Common Name:NR
Source FamilyRutaceae
OriginGuadeloupe
Plant Part UsedNR
ExtractNR
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneNR
Positive Control Used (conc.)NR
Inhibition [%]NR
Activity [MIC] µg/mlBactec: 25 µg/ml, 7H11 agar: 25 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedTexalin
PubChem ID   473253
Ethnomedicinal InformationAntimycobacterial
PubMed ID [Source Literature]9626931
Extract PreparationThe dried powdered material was moistened with 25 % NH4OH, and extracted by chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH4OH, and extracted with chloroform. The organic phase was washed with water, and dried over Na2SO4. The organic extracts were evaporated and subjected to chromatography on silica gel
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine, Oxazole, Ether
Media / Broth Used [Antimicrobial Assay/Test]Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium
Cytotoxicity Assay [AID]NR
Molecular Weight266.069
Molecular FormulaC15H10N2O3
SMILESO1c2c(OC1)ccc(c2)c1oc(nc1)c1cccnc1
XLogP2.463
PSA57.380
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count2
No. of Rings4
No. of N2
No. of O3
No. of S0
Reference(s)1) Rastogi N, Abaul J, Goh KS, Devallois A, Philogène E, Bourgeois P.Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.FEMS Immunol Med Microbiol. 1998 Apr;20(4):267-73

CuratorWvarsha, rachanake

                  Record - 2 of 19   [TOP]
Compound ID3365
Compound Structure
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Plant SourceAmyris elemifera     Common Name:NR
Source FamilyRutaceae
OriginGuadeloupe
Plant Part UsedNR
ExtractNR
Target BacteriaMycobacterium avium 733
Assay / Test DoneNR
Positive Control Used (conc.)NR
Inhibition [%]NR
Activity [MIC] µg/mlBactec: 25 µg/ml, 7H11 agar: 50 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedTexalin
PubChem ID   473253
Ethnomedicinal InformationAntimycobacterial
PubMed ID [Source Literature]9626931
Extract PreparationThe dried powdered material was moistened with 25 % NH4OH, and extracted by chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH4OH, and extracted with chloroform. The organic phase was washed with water, and dried over Na2SO4. The organic extracts were evaporated and subjected to chromatography on silica gel
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine, Oxazole, Ether
Media / Broth Used [Antimicrobial Assay/Test]Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium
Cytotoxicity Assay [AID]NR
Molecular Weight266.069
Molecular FormulaC15H10N2O3
SMILESO1c2c(OC1)ccc(c2)c1oc(nc1)c1cccnc1
XLogP2.463
PSA57.380
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count2
No. of Rings4
No. of N2
No. of O3
No. of S0
Reference(s)1) Rastogi N, Abaul J, Goh KS, Devallois A, Philogène E, Bourgeois P.Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.FEMS Immunol Med Microbiol. 1998 Apr;20(4):267-73

CuratorWvarsha, rachanake

                  Record - 3 of 19   [TOP]
Compound ID3366
Compound Structure
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Plant SourceAmyris elemifera     Common Name:NR
Source FamilyRutaceae
OriginGuadeloupe
Plant Part UsedNR
ExtractNR
Target BacteriaMycobacterium kansasii (Clinical isolate 94 - 069)
Assay / Test DoneNR
Positive Control Used (conc.)NR
Inhibition [%]NR
Activity [MIC] µg/mlBactec: 25 µg/ml, 7H11 agar: 50 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedTexalin
PubChem ID   473253
Ethnomedicinal InformationAntimycobacterial
PubMed ID [Source Literature]9626931
Extract PreparationThe dried powdered material was moistened with 25 % NH4OH, and extracted by chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH4OH, and extracted with chloroform. The organic phase was washed with water, and dried over Na2SO4. The organic extracts were evaporated and subjected to chromatography on silica gel
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine, Oxazole, Ether
Media / Broth Used [Antimicrobial Assay/Test]Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium
Cytotoxicity Assay [AID]NR
Molecular Weight266.069
Molecular FormulaC15H10N2O3
SMILESO1c2c(OC1)ccc(c2)c1oc(nc1)c1cccnc1
XLogP2.463
PSA57.380
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count2
No. of Rings4
No. of N2
No. of O3
No. of S0
Reference(s)1) Rastogi N, Abaul J, Goh KS, Devallois A, Philogène E, Bourgeois P.Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.FEMS Immunol Med Microbiol. 1998 Apr;20(4):267-73

CuratorWvarsha, rachanake

                  Record - 4 of 19   [TOP]
Compound ID3902
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)Ethambutol, Isoniazid
Inhibition [%]90 %
Activity [MIC] µg/ml0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine - N - Oxide
PubChem IDNR
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine-N-Oxide, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight172.997
Molecular FormulaC6H7NOS2
SMILESC1cc[n+](c(c1)SSC)[O-]
XLogP1.646
PSA77.540
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O1
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 5 of 19   [TOP]
Compound ID3903
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium fortuitum
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (2 µg/ml), Isoniazid (0.25 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml8 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine - N - Oxide
PubChem IDNR
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine-N-Oxide, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight172.997
Molecular FormulaC6H7NOS2
SMILESC1cc[n+](c(c1)SSC)[O-]
XLogP1.646
PSA77.540
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O1
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 6 of 19   [TOP]
Compound ID3904
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium smegmatis
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (32 µg/ml), Isoniazid (0.25 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml8 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine - N - Oxide
PubChem IDNR
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine-N-Oxide, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight172.997
Molecular FormulaC6H7NOS2
SMILESC1cc[n+](c(c1)SSC)[O-]
XLogP1.646
PSA77.540
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O1
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 7 of 19   [TOP]
Compound ID3905
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium smegmatis (mc2 2700)
Assay / Test DoneNR
Positive Control Used (conc.)ND
Inhibition [%]NR
Activity [MIC] µg/ml8 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine - N - Oxide
PubChem IDNR
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine-N-Oxide, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight172.997
Molecular FormulaC6H7NOS2
SMILESC1cc[n+](c(c1)SSC)[O-]
XLogP1.646
PSA77.540
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O1
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 8 of 19   [TOP]
Compound ID3906
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium phlei
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (2 µg/ml), Isoniazid (128 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml2 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine - N - Oxide
PubChem IDNR
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine-N-Oxide, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight172.997
Molecular FormulaC6H7NOS2
SMILESC1cc[n+](c(c1)SSC)[O-]
XLogP1.646
PSA77.540
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O1
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 9 of 19   [TOP]
Compound ID3907
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium bovis (BCG - Bacillus Calmette Guerin)
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol, Isoniazid
Inhibition [%]90 %
Activity [MIC] µg/ml0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine - N - Oxide
PubChem IDNR
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Alkaloid, Pyridine-N-Oxide, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight172.997
Molecular FormulaC6H7NOS2
SMILESC1cc[n+](c(c1)SSC)[O-]
XLogP1.646
PSA77.540
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O1
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 10 of 19   [TOP]
Compound ID3908
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium tuberculosis H37Rv (ATCC 27 294)
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol, Isoniazid
Inhibition [%]100 %
Activity [MIC] µg/ml0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - [(Methylthiomethyl) Dithio] Pyridine - N - Oxide
PubChem ID   45267926
Ethnomedicinal InformationPromotion of wound healing
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Dithiol, Pyridine-N-Oxide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight218.985
Molecular FormulaC7H9NOS3
SMILESS(SCSC)c1[n+]([O-])cccc1
XLogP2.259
PSA102.840
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count4
No. of Rings1
No. of N1
No. of O1
No. of S3
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 11 of 19   [TOP]
Compound ID3909
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium fortuitum
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (2 µg/ml), Isoniazid (0.25 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml8 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - [(Methylthiomethyl) Dithio] Pyridine - N - Oxide
PubChem ID   45267926
Ethnomedicinal InformationPromotion of wound healing
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Dithiol, Pyridine-N-Oxide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight218.985
Molecular FormulaC7H9NOS3
SMILESS(SCSC)c1[n+]([O-])cccc1
XLogP2.259
PSA102.840
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count4
No. of Rings1
No. of N1
No. of O1
No. of S3
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 12 of 19   [TOP]
Compound ID3910
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium smegmatis
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (32 µg/ml), Isoniazid (0.25 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml4 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - [(Methylthiomethyl) Dithio] Pyridine - N - Oxide
PubChem ID   45267926
Ethnomedicinal InformationPromotion of wound healing
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Dithiol, Pyridine-N-Oxide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight218.985
Molecular FormulaC7H9NOS3
SMILESS(SCSC)c1[n+]([O-])cccc1
XLogP2.259
PSA102.840
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count4
No. of Rings1
No. of N1
No. of O1
No. of S3
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 13 of 19   [TOP]
Compound ID3911
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium smegmatis (mc2 2700)
Assay / Test DoneNR
Positive Control Used (conc.)Not Tested
Inhibition [%]NR
Activity [MIC] µg/ml4 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - [(Methylthiomethyl) Dithio] Pyridine - N - Oxide
PubChem ID   45267926
Ethnomedicinal InformationPromotion of wound healing
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Dithiol, Pyridine-N-Oxide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight218.985
Molecular FormulaC7H9NOS3
SMILESS(SCSC)c1[n+]([O-])cccc1
XLogP2.259
PSA102.840
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count4
No. of Rings1
No. of N1
No. of O1
No. of S3
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 14 of 19   [TOP]
Compound ID3912
Compound Structure
DOWNLOAD:
Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium phlei
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (2 µg/ml), Isoniazid (128 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml2 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - [(Methylthiomethyl) Dithio] Pyridine - N - Oxide
PubChem ID   45267926
Ethnomedicinal InformationPromotion of wound healing
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Dithiol, Pyridine-N-Oxide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight218.985
Molecular FormulaC7H9NOS3
SMILESS(SCSC)c1[n+]([O-])cccc1
XLogP2.259
PSA102.840
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count4
No. of Rings1
No. of N1
No. of O1
No. of S3
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 15 of 19   [TOP]
Compound ID3913
Compound Structure
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Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedBulb
ExtractChloroform
Target BacteriaMycobacterium bovis (BCG - Bacillus Calmette Guerin)
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol, Isoniazid
Inhibition [%]90 %
Activity [MIC] µg/ml0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - [(Methylthiomethyl) Dithio] Pyridine - N - Oxide
PubChem ID   45267926
Ethnomedicinal InformationPromotion of wound healing
PubMed ID [Source Literature]19093848
Extract PreparationA 4.43 kg quantity of macerated bulbs was extracted exhaustively with hexane, chloroform and methanol
Chemical Classification [Active Compound]Aromatic, Dithiol, Pyridine-N-Oxide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight218.985
Molecular FormulaC7H9NOS3
SMILESS(SCSC)c1[n+]([O-])cccc1
XLogP2.259
PSA102.840
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count4
No. of Rings1
No. of N1
No. of O1
No. of S3
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 16 of 19   [TOP]
Compound ID3920
Compound Structure
DOWNLOAD:
Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedNR
ExtractNR
Target BacteriaMycobacterium fortuitum
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (2 µg/ml), Isoniazid (128 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml8 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine
PubChem ID   173923
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationNR
Chemical Classification [Active Compound]Aromatic, Pyridine, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight157.002
Molecular FormulaC6H7NS2
SMILESS(SC)c1ncccc1
XLogP2.407
PSA63.490
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O0
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 17 of 19   [TOP]
Compound ID3922
Compound Structure
DOWNLOAD:
Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedNR
ExtractNR
Target BacteriaMycobacterium smegmatis (mc2 2700)
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (2 µg/ml), Isoniazid (128 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/mlNot tested
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine
PubChem ID   173923
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationNR
Chemical Classification [Active Compound]Aromatic, Pyridine, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight157.002
Molecular FormulaC6H7NS2
SMILESS(SC)c1ncccc1
XLogP2.407
PSA63.490
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O0
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 18 of 19   [TOP]
Compound ID3923
Compound Structure
DOWNLOAD:
Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedNR
ExtractNR
Target BacteriaMycobacterium phlei
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (2 µg/ml), Isoniazid (128 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml16 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine
PubChem ID   173923
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationNR
Chemical Classification [Active Compound]Aromatic, Pyridine, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight157.002
Molecular FormulaC6H7NS2
SMILESS(SC)c1ncccc1
XLogP2.407
PSA63.490
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O0
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal

                  Record - 19 of 19   [TOP]
Compound ID3925
Compound Structure
DOWNLOAD:
Plant SourceAllium stipitatum Regel     Common Name:Ornamental Onion, Glory of Pamir
Source FamilyAmaryllidaceae
OriginSpalding, Lincolnshire, UK
Plant Part UsedNR
ExtractNR
Target BacteriaMycobacterium smegmatis
Assay / Test DoneNR
Positive Control Used (conc.)Ethambutol (2 µg/ml), Isoniazid (128 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml8 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identified2 - (Methyldithio) Pyridine
PubChem ID   173923
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19093848
Extract PreparationNR
Chemical Classification [Active Compound]Aromatic, Pyridine, Disulfide
Media / Broth Used [Antimicrobial Assay/Test]Columbia blood agar (Oxoid)
Cytotoxicity Assay [AID]Sulforhodamine B Short - Term Cytotoxicity Assay
Molecular Weight157.002
Molecular FormulaC6H7NS2
SMILESS(SC)c1ncccc1
XLogP2.407
PSA63.490
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings1
No. of N1
No. of O0
No. of S2
Reference(s)1) O'Donnell G, Poeschl R, Zimhony O, Gunaratnam M, Moreira JB, Neidle S, Evangelopoulos D, Bhakta S, Malkinson JP, Boshoff HI, Lenaerts A, Gibbons S.Bioactive pyridine-N-oxide disulfides from Allium stipitatum.J Nat Prod. 2009 Mar 27;72(3):360-5

CuratorVikramjitmandal


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